BDBM50248260 CHEMBL474547::N-hydroxy-3-(1-(3-hydroxypropyl)-2-isopropyl-1H-benzo[d]imidazol-5-yl)acrylamide::US10201527, Compound 46::US10736881, Compound 46::US8551988, 46

SMILES: CC(C)c1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO

InChI Key: InChIKey=JULWPKHLNCZYBQ-FNORWQNLSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50248260   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248260 (CHEMBL474547 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(C)c1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO Show InChI InChI=1S/C16H21N3O3/c1-11(2)16-17-13-10-12(5-7-15(21)18-22)4-6-14(13)19(16)8-3-9-20/h4-7,10-11,20,22H,3,8-9H2,1-2H3,(H,18,21)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mei Pharma, Inc. US Patent					Assay Description The assay have been carried out in a 96 well format and the BIOMOL using a fluorescent-based HDAC activity assay.				US Patent US8551988 (2013) BindingDB Entry DOI: 10.7270/Q2BZ64P8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248260 (CHEMBL474547 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(C)c1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO Show InChI InChI=1S/C16H21N3O3/c1-11(2)16-17-13-10-12(5-7-15(21)18-22)4-6-14(13)19(16)8-3-9-20/h4-7,10-11,20,22H,3,8-9H2,1-2H3,(H,18,21)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
MEI Pharma, Inc. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10736881 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248260 (CHEMBL474547 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(C)c1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO Show InChI InChI=1S/C16H21N3O3/c1-11(2)16-17-13-10-12(5-7-15(21)18-22)4-6-14(13)19(16)8-3-9-20/h4-7,10-11,20,22H,3,8-9H2,1-2H3,(H,18,21)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
MEI PHARMA, INC. US Patent					Assay Description The assay has been carried out in 96 well format and the BIOMOL fluorescent-based HDAC activity assay has been applied. The reaction composed of assa...				US Patent US10201527 (2019) BindingDB Entry DOI: 10.7270/Q2PK0J7F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50248260 (CHEMBL474547 | N-hydroxy-3-(1-(3-hydroxypropyl)-2-...) Show SMILES CC(C)c1nc2cc(\C=C\C(=O)NO)ccc2n1CCCO Show InChI InChI=1S/C16H21N3O3/c1-11(2)16-17-13-10-12(5-7-15(21)18-22)4-6-14(13)19(16)8-3-9-20/h4-7,10-11,20,22H,3,8-9H2,1-2H3,(H,18,21)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
S *BIO Pte Ltd Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 by fluorimetric assay				Bioorg Med Chem Lett 19: 1403-8 (2009) Article DOI: 10.1016/j.bmcl.2009.01.041 BindingDB Entry DOI: 10.7270/Q2FT8KX3
					More data for this Ligand-Target Pair